Flamprop-m-isopropyl

Base Information

• Chemical Name: Flamprop-m-isopropyl
• CAS No.: 57973-67-8
• Deprecated CAS: 63705-11-3,61996-37-0,61996-37-0
• Molecular Formula: C₁₉H₁₉ClFNO₃
• Molecular Weight: 363.816
• European Community (EC) Number: 261-051-4
• UNII: 3QF55LD93S
• DSSTox Substance ID: DTXSID9042095
• Nikkaji Number: J90.404J
• Wikidata: Q27257908
• Mol file: 57973-67-8.mol

Synonyms:L-Flamprop-isopropyl;57973-67-8;Flamprop-m-isopropyl;(+)-Flamprop-isopropyl;Isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-L-alaninate;Effix;UNII-3QF55LD93S;3QF55LD93S;EINECS 261-051-4;propan-2-yl (2S)-2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate;L-Alanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-, 1-methylethyl ester;C19-H19-Cl-F-N-O3;(S)-flamprop-isopropyl;FLAMPROP-ISOPROPYL, L-;SCHEMBL5404448;DTXSID9042095;FLAMPROP ISOPROPYL, (S)-;FLAMPROP-ISOPROPYL, (S)-;W-111146;Flamprop-isopropyl, PESTANAL(R), analytical standard;Q27257908;Flamprop-M-isopropyl, PESTANAL(R), analytical standard;(S)-2-[(3-Chloro-4-fluorophenyl)benzoylamino]propionic acid isopropyl ester

Chemical Property of Flamprop-m-isopropyl

Chemical Property:

• Vapor Pressure: 3.05E-09mmHg at 25°C
• Melting Point: 84 °C
• Refractive Index: 1.571
• Boiling Point: 476.4°Cat760mmHg
• PKA: -1.02±0.50(Predicted)
• Flash Point: 241.9°C
• PSA: 46.61000
• Density: 1.255g/cm³
• LogP: 4.46600
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 363.1037493
• Heavy Atom Count: 25
• Complexity: 468

Purity/Quality:

99% ^*data from raw suppliers

Flamprop-M-isopropyl PESTANAL?, analytical standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)OC(=O)C(C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2
• Isomeric SMILES: C[C@@H](C(=O)OC(C)C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2

Technology Process of Flamprop-m-isopropyl

There total 2 articles about Flamprop-m-isopropyl which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

(R)-isopropyl 2-(3-chloro-4-fluorophenylamino)propionate (62836-63-9) + benzoyl chloride (98-88-4) → R-(-)-N-benzoyl-N-(3-chloro-4-fluorophenyl)-alanine isopropyl ester (57973-67-8)

Guidance literature:

(R)-isopropyl 2-(3-chloro-4-fluorophenylamino)propionate; benzoyl chloride; In dichloromethane; for 0.333333h; Inert atmosphere;

With triethylamine; In dichloromethane; at 25 ℃; for 32h; Inert atmosphere;

DOI:10.1021/ja2084493

Reference yield:

→ N-benzoyl-N-(3-chloro-4-fluorophenyl)-2-amino-propionic acid isopropyl ester (52756-22-6,57973-67-8)

Guidance literature:

2-Chlorpropionsaeure, 1) 3-Chlor-4-fluoranilin-NaHCO3 2) Isopropanol-HCl 3) Benzoylchlorid;

upstream raw materials:

(R)-isopropyl 2-(3-chloro-4-fluorophenylamino)propionate

benzoyl chloride

Refernces

• 1、 -. "5,6-Dihydro-1,2,4,6-thiatriazin-5-one-1,1-dioxides". . . Retrieved 2008/06/13.